2-[3-(4-methylphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one

C19H17N3OS — CID 57401881

IUPAC2-[3-(4-methylphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one
SMILESCc1ccc(C2CC(c3ccccc3)=NN2C2=NC(=O)CS2)cc1
InChIInChI=1S/C19H17N3OS/c1-13-7-9-15(10-8-13)17-11-16(14-5-3-2-4-6-14)21-22(17)19-20-18(23)12-24-19/h2-10,17H,11-12H2,1H3
InChIKeyVJEUAMRGXUPVET-UHFFFAOYSA-N
MW335.43 g/mol
LogP3.78
Rot. Bonds2

About 2-[3-(4-methylphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one

2-[3-(4-methylphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one (PubChem CID 57401881) has the molecular formula C19H17N3OS and a molecular weight of 335.43 g/mol. Its IUPAC name is 2-[3-(4-methylphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one.

Molecular Properties

Compound Name2-[3-(4-methylphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one
PubChem CID57401881
Molecular FormulaC19H17N3OS
Molecular Weight335.43 g/mol
Exact Mass335.11
IUPAC Name2-[3-(4-methylphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one
SMILESCc1ccc(C2CC(c3ccccc3)=NN2C2=NC(=O)CS2)cc1
InChIInChI=1S/C19H17N3OS/c1-13-7-9-15(10-8-13)17-11-16(14-5-3-2-4-6-14)21-22(17)19-20-18(23)12-24-19/h2-10,17H,11-12H2,1H3
InChIKeyVJEUAMRGXUPVET-UHFFFAOYSA-N
XLogP3.78
TPSA45.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(4-Bromophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one
CID 57345615
2-[3-(4-Chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one
CID 57396640
2-[5-(4-Methylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one
CID 57399196
2-[5-(3,4-Dimethylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one
CID 71451497
2-[5-(3,4-Dimethylphenyl)-3-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one
CID 90656359
2-(3-Naphthalen-2-yl-5-phenyl-3,4-dihydropyrazol-2-yl)-1,3-thiazol-4-one
CID 90656356
2-[5-(4-Methylphenyl)-3-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one
CID 90656358
2-(3-Naphthalen-1-yl-5-phenyl-3,4-dihydropyrazol-2-yl)-1,3-thiazol-4-one
CID 90676755
2-[5-(4-Methylphenyl)-3-naphthalen-1-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one
CID 90676759
2-[5-(4-Fluorophenyl)-3-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one
CID 90676765
2-[5-(4-Fluorophenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one
CID 57390420
2-[5-(4-Bromophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one
CID 57390422

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methylphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one?
The IUPAC name of 2-[3-(4-methylphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one (CID 57401881) is 2-[3-(4-methylphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one.
What is the SMILES notation for 2-[3-(4-methylphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one?
The canonical SMILES for 2-[3-(4-methylphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one is Cc1ccc(C2CC(c3ccccc3)=NN2C2=NC(=O)CS2)cc1.
What is the InChIKey of 2-[3-(4-methylphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one?
The InChIKey is VJEUAMRGXUPVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3OS/c1-13-7-9-15(10-8-13)17-11-16(14-5-3-2-4-6-14)21-22(17)19-20-18(23)12-24-19/h2-10,17H,11-12H2,1H3.
What are the key properties of 2-[3-(4-methylphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one?
2-[3-(4-methylphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one has a molecular weight of 335.43 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methylphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one is sourced from PubChem (CID 57401881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).